3-fluoro-N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide

C25H25FN2O3 — CID 45205894

IUPAC3-fluoro-N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(c1cccc(F)c1)N(Cc1cccc(OCC2CCOC2)c1)Cc1ccccn1
InChIInChI=1S/C25H25FN2O3/c26-22-7-4-6-21(14-22)25(29)28(16-23-8-1-2-11-27-23)15-19-5-3-9-24(13-19)31-18-20-10-12-30-17-20/h1-9,11,13-14,20H,10,12,15-18H2
InChIKeyQJGHZTICORXIIY-UHFFFAOYSA-N
MW420.48 g/mol
LogP4.48
Rot. Bonds8

About 3-fluoro-N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide

3-fluoro-N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 45205894) has the molecular formula C25H25FN2O3 and a molecular weight of 420.48 g/mol. Its IUPAC name is 3-fluoro-N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide
PubChem CID45205894
Molecular FormulaC25H25FN2O3
Molecular Weight420.48 g/mol
Exact Mass420.18
IUPAC Name3-fluoro-N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(c1cccc(F)c1)N(Cc1cccc(OCC2CCOC2)c1)Cc1ccccn1
InChIInChI=1S/C25H25FN2O3/c26-22-7-4-6-21(14-22)25(29)28(16-23-8-1-2-11-27-23)15-19-5-3-9-24(13-19)31-18-20-10-12-30-17-20/h1-9,11,13-14,20H,10,12,15-18H2
InChIKeyQJGHZTICORXIIY-UHFFFAOYSA-N
XLogP4.48
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-fluorophenyl)-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 26340235
3,5-dimethoxy-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 42319962
N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]-4-pyrazol-1-yl-N-(pyridin-2-ylmethyl)benzamide
CID 45220438
N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)cyclobutanecarboxamide
CID 42277857
3-methyl-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 42274795
5-methyl-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 26353603
2,3-dimethyl-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)-1H-indole-5-carboxamide
CID 42166452
4-methyl-N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)-1,2,5-oxadiazole-3-carboxamide
CID 45205532
N-cyclopropyl-3-(3-fluorophenyl)-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]benzamide
CID 42377641
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)acetamide
CID 45175320
N-[[3-[[(1R)-cyclohex-3-en-1-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 26349493
5-chloro-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide
CID 42171813

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 3-fluoro-N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide (CID 45205894) is 3-fluoro-N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-fluoro-N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 3-fluoro-N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide is O=C(c1cccc(F)c1)N(Cc1cccc(OCC2CCOC2)c1)Cc1ccccn1.
What is the InChIKey of 3-fluoro-N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is QJGHZTICORXIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O3/c26-22-7-4-6-21(14-22)25(29)28(16-23-8-1-2-11-27-23)15-19-5-3-9-24(13-19)31-18-20-10-12-30-17-20/h1-9,11,13-14,20H,10,12,15-18H2.
What are the key properties of 3-fluoro-N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide?
3-fluoro-N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 420.48 g/mol, XLogP of 4.48, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 45205894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).